4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol

C18H24ClN3O — CID 167427009

IUPAC4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)ncc2C#CCN2CCCC2)CC1
InChIInChI=1S/C18H24ClN3O/c19-18-12-17(21-15-5-7-16(23)8-6-15)14(13-20-18)4-3-11-22-9-1-2-10-22/h12-13,15-16,23H,1-2,5-11H2,(H,20,21)
InChIKeyYSZHLNKPQQGNJU-UHFFFAOYSA-N
MW333.86 g/mol
LogP2.90
Rot. Bonds3

About 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol

4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 167427009) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol
PubChem CID167427009
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)ncc2C#CCN2CCCC2)CC1
InChIInChI=1S/C18H24ClN3O/c19-18-12-17(21-15-5-7-16(23)8-6-15)14(13-20-18)4-3-11-22-9-1-2-10-22/h12-13,15-16,23H,1-2,5-11H2,(H,20,21)
InChIKeyYSZHLNKPQQGNJU-UHFFFAOYSA-N
XLogP2.90
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
CID 167426088
[6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone
CID 167425557
cis-(1R,3S)-3-[[2-chloro-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-pyridinyl]amino]cyclohexan-1-ol
CID 167427193
1-[4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]oxymethyl]cyclohexyl]-N,N-dimethylmethanamine
CID 171614233
[4-[[2-chloro-5-[2-(1-methylcyclopropyl)ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 175857987
[4-[[2-chloro-5-[2-[(2S,3S)-2-methyloxolan-3-yl]ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 167427097
N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine
CID 129270998
4-N-[2-chloro-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-pyridinyl]-1-N-(2-fluoroethyl)cyclohexane-1,4-diamine
CID 171572620
4-[[[2-chloro-5-[2-(oxolan-2-yl)ethynyl]-4-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 167426727
4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol
CID 167425719
2-chloro-5-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl]-N-[4-[(dimethylamino)methyl]cyclohexyl]pyridin-4-amine
CID 175857986
4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 169246456

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol (CID 167427009) is 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol is OC1CCC(Nc2cc(Cl)ncc2C#CCN2CCCC2)CC1.
What is the InChIKey of 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is YSZHLNKPQQGNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c19-18-12-17(21-15-5-7-16(23)8-6-15)14(13-20-18)4-3-11-22-9-1-2-10-22/h12-13,15-16,23H,1-2,5-11H2,(H,20,21).
What are the key properties of 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol?
4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 333.86 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 167427009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).